SCHEMBL3972765

SCHEMBL3972765

CC(=O)CNc1ncc(C(=O)OC(C)(C)C)c(Nc2ccc(Br)cc2Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
MAP2K1 Q02750 4/20 0.39
EGFR P00533 3/20 0.37
AAK1 Q2M2I8 2/20 0.37
MAP2K2 P36507 2/20 0.37
SMC2 O95347 1/20 0.37
CSNK2A2 P19784 1/20 0.37
SMC1A Q14683 1/20 0.37
Q6ZSR9 Q6ZSR9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
SRC P12931 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3968855 0.88 GAA (0.46) MAPTGAATHRBMAP2K1EGFR
SCHEMBL3978573 0.86 MAP2K1 (0.49) MAPTGAATHRBMAP2K1EGFR
SCHEMBL3979023 0.79 AAK1 (0.41) MAPTGAATHRBMAP2K1EGFR
SCHEMBL3974056 0.78 MAP2K1 (0.45) MAPTGAATHRBMAP2K1EGFR
SCHEMBL3971960 0.78 KMT2A (0.39) MAPTGAATHRBMAP2K1EGFR
SCHEMBL3975135 0.77 MAP2K1 (0.45) MAPTGAATHRBMAP2K1EGFR
SCHEMBL3973970 0.75 MAPT (0.55) MAPTGAATHRBMAP2K1SRC
SCHEMBL1341369 0.75 MAP2K1 (0.53) MAPTGAATHRBMAP2K1EGFR
SCHEMBL3971371 0.74 MAPT (0.58) MAPTGAATHRBMAP2K1SRC
SCHEMBL1342838 0.73 MAP2K1 (0.46) MAPTGAATHRBMAP2K1EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
EP-1673339-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2009-04-29 EP disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
WO-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 WO disclosed
WO-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 WO disclosed
EP-1673339-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-06-28 EP disclosed
US-20060030610-A1 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. 2006-02-09 US disclosed
WO-2005023759-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-03-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAPT 4838/4885GAA 3119/4885THRB 1840/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 MAPT 2661/4885GAA 444/4885THRB 3149/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.